2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine

C9H15F3N2 — CID 130856027

IUPAC2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCC2(CC2)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c10-9(11,12)7(5-13)14-4-3-8(6-14)1-2-8/h7H,1-6,13H2
InChIKeyCIJCZAUFJKTDMA-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.36
Rot. Bonds2

About 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine

2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 130856027) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID130856027
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(N1CCC2(CC2)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c10-9(11,12)7(5-13)14-4-3-8(6-14)1-2-8/h7H,1-6,13H2
InChIKeyCIJCZAUFJKTDMA-UHFFFAOYSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine (CID 130856027) is 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine is NCC(N1CCC2(CC2)C1)C(F)(F)F.
What is the InChIKey of 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is CIJCZAUFJKTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)7(5-13)14-4-3-8(6-14)1-2-8/h7H,1-6,13H2.
What are the key properties of 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine?
2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 208.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.4]heptan-5-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 130856027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).